Geometry & MOs

Info

ID:	217069
PubChem CID:	85087199
Reduced:	NO3C20H27 (1)
Stoich.:	AB3C20D27 (1)
Weight, g/mol:	329.199094
ΔH_f, kcal/mol:	-131.77
Dipole, Da:	5.96
IP(EA), eV:	-9.47(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-but-3-enyl-3-(hydroxymethyl)-6,8a-dimethyl-2-phenyl-2,3,7,8-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-5-one

Drug info:

PubChemData

Smile

C1CC(CC(=O)C1)CCC2CCC(N2CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations